CID 19695725

Schembl3085621

Structural Information

Molecular Formula
C24H40O4
SMILES
CC(CCC=C(C)C)CC/C(=C(\CCC(C)CCC=C(C)C)/C(=O)O)/C(=O)O
InChI
InChI=1S/C24H40O4/c1-17(2)9-7-11-19(5)13-15-21(23(25)26)22(24(27)28)16-14-20(6)12-8-10-18(3)4/h9-10,19-20H,7-8,11-16H2,1-6H3,(H,25,26)(H,27,28)/b22-21-
InChIKey
BDPURBBHCVTVRO-DQRAZIAOSA-N
Compound name
(Z)-2,3-bis(3,7-dimethyloct-6-enyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.29266 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.299936 205.1
[M+Na]+ 415.281878 209.1
[M-H]- 391.285384 197.9
[M+NH4]+ 410.326483 207.1
[M+K]+ 431.255818 200.7
[M+H-H2O]+ 375.289920 199.1
[M+HCOO]- 437.290861 194.6
[M+CH3COO]- 451.306511 224.3
[M+Na-2H]- 413.267326 192.4
[M]+ 392.29211142 198.0
[M]- 392.29320858 198.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe